[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H26N4O3S/c1-27(18-20-10-11-21-6-2-3-7-22(21)16-20)19-25(30)28-12-14-29(15-13-28)33(31,32)24-9-5-4-8-23(24)17-26/h2-11,16H,12-15,18-19H2,1H3/p+1